CID 89551

9-ethylbicyclo[3.3.1]nonan-9-ol

Structural Information

Molecular Formula
C11H20O
SMILES
CCC1(C2CCCC1CCC2)O
InChI
InChI=1S/C11H20O/c1-2-11(12)9-5-3-6-10(11)8-4-7-9/h9-10,12H,2-8H2,1H3
InChIKey
COQRKPRIDRDOOG-UHFFFAOYSA-N
Compound name
9-ethylbicyclo[3.3.1]nonan-9-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

68
Patents

168.15141 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.158686 139.8
[M+Na]+ 191.140628 144.5
[M-H]- 167.144134 140.4
[M+NH4]+ 186.185233 163.2
[M+K]+ 207.114568 142.0
[M+H-H2O]+ 151.148670 135.2
[M+HCOO]- 213.149611 154.7
[M+CH3COO]- 227.165261 177.9
[M+Na-2H]- 189.126076 145.9
[M]+ 168.15086142 134.1
[M]- 168.15195858 134.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe